Geometry & MOs

Info

ID:	411074
PubChem CID:	135083884
Reduced:	ON3C11H22 (1)
Stoich.:	AB3C11D22 (1)
Weight, g/mol:	220.07693
ΔH_f, kcal/mol:	-17.39
Dipole, Da:	5.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758217
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-4-methyl-2-methylsulfonylpent-2-enoate

Drug info:

PubChemData

Smile

CC(C)CCN(/C(=C\[N+]#N)/O)C(C)(C)C

DOS

IR

Vibrations